Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL20945362 | 1.00 | KDM4E (0.43) | KDM4ECYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL14992925 | 0.82 | PTGDR2 (0.42) | KDM4ECYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL3839029 | 0.79 | KDM4E (0.49) | KDM4ECYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL18945561 | 0.78 | FFAR1 (0.46) | KDM4ECYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL18946204 | 0.78 | ALDH1A1 (0.38) | KDM4ECYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL15524054 | 0.78 | KDM4E (0.38) | KDM4ECYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL12797116 | 0.77 | ALDH1A1 (0.37) | KDM4ECYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL31064494 | 0.76 | FFAR1 (0.52) | FFAR1 | |
| SCHEMBL15956362 | 0.75 | CYP1A2 (0.36) | KDM4ECYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL17729329 | 0.75 | ALDH1A1 (0.45) | KDM4ECYP1A2CYP3A4CYP2D6MAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114907389-A | Boronic acid derivatives | 首药控股(北京)股份有限公司 | 2022-08-16 | — | — | CN | disclosed |